data_1q3y_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1q3y _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.864 0.364 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HB2' HG21 ' A' ' 24' ' ' THR . 0.0 OUTLIER -155.93 36.35 0.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.898 -1.126 . . . . 0.0 111.058 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.541 ' SG ' ' HE1' ' A' ' 28' ' ' HIS . 28.2 t -80.63 75.2 7.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.953 -1.092 . . . . 0.0 109.17 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -92.69 -21.71 19.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 0.0 111.105 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -88.1 45.51 1.29 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.87 -1.144 . . . . 0.0 110.471 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.455 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -178.86 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.261 -0.899 . . . . 0.0 110.028 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 60.79 0.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 1.4 ttmt -158.86 -150.31 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -1.146 . . . . 0.0 109.774 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.78 112.29 3.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.985 -1.072 . . . . 0.0 110.427 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 -22.7 3.64 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.444 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 37.6 m170 -75.35 -32.29 60.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -1.174 . . . . 0.0 110.634 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.488 HG21 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 51.9 43.71 29.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.503 -0.748 . . . . 0.0 110.46 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.464 ' HA ' ' NE2' ' A' ' 28' ' ' HIS . . . 52.66 34.98 17.11 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.643 -0.66 . . . . 0.0 110.407 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -143.64 22.88 1.79 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.504 -0.748 . . . . 0.0 109.889 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -156.24 43.55 0.4 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' HE1' ' SG ' ' A' ' 15' ' ' CYS . 49.0 m-70 -102.72 94.08 5.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.371 -0.831 . . . . 0.0 110.215 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 175.76 8.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.37 -0.831 . . . . 0.0 110.333 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.99 73.5 7.82 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 110.26 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.93 -41.55 2.02 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.972 1.511 . . . . 0.0 110.543 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -93.46 -174.28 3.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 110.03 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 28.7 3.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.487 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 -73.97 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.638 -0.664 . . . . 0.0 110.422 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.02 -169.72 12.55 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 6.4 t -63.73 149.86 45.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.128 -1.219 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.517 ' HB2' ' HB3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -98.2 22.51 9.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.926 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 -46.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.98 -1.075 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.89 72.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.098 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.62 67.91 1.23 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -164.52 137.91 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -1.107 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -155.76 0.12 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.95 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.66 -67.76 3.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.472 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 26.9 p-80 -104.64 -154.19 0.5 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -1.054 . . . . 0.0 109.461 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.08 -172.57 4.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.11 -0.994 . . . . 0.0 110.066 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.517 ' HB3' ' HB2' ' A' ' 37' ' ' TRP . 3.6 ppp? -66.24 -23.33 66.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 110.558 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' N ' ' HG3' ' A' ' 46' ' ' MET . 7.3 mtmt -78.62 -38.84 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.123 -0.986 . . . . 0.0 110.125 179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 84.5 m-20 -76.97 -48.86 16.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.472 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 45.3 t -65.46 129.49 39.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.354 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.8 m -83.12 -58.49 2.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 53.44 57.52 6.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.67 -0.644 . . . . 0.0 110.534 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -40.37 12.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 110.008 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.468 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 14' ' ' LYS . 3.0 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.864 0.364 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -155.93 36.35 0.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.898 -1.126 . . . . 0.0 111.058 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.2 t -80.63 75.2 7.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.953 -1.092 . . . . 0.0 109.17 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -92.69 -21.71 19.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 0.0 111.105 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -88.1 45.51 1.29 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.87 -1.144 . . . . 0.0 110.471 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -178.86 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.261 -0.899 . . . . 0.0 110.028 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 60.79 0.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 1.4 ttmt -158.86 -150.31 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -1.146 . . . . 0.0 109.774 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.78 112.29 3.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.985 -1.072 . . . . 0.0 110.427 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 -22.7 3.64 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.45 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 37.6 m170 -75.35 -32.29 60.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -1.174 . . . . 0.0 110.634 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 51.9 43.71 29.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.503 -0.748 . . . . 0.0 110.46 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.651 ' HA ' ' CE1' ' A' ' 28' ' ' HIS . . . 52.66 34.98 17.11 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.643 -0.66 . . . . 0.0 110.407 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -143.64 22.88 1.79 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.504 -0.748 . . . . 0.0 109.889 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -156.24 43.55 0.4 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.651 ' CE1' ' HA ' ' A' ' 25' ' ' ALA . 33.4 m170 -102.72 94.08 5.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.371 -0.831 . . . . 0.0 110.215 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 175.76 8.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.37 -0.831 . . . . 0.0 110.333 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.99 73.5 7.82 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 110.26 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.93 -41.55 2.02 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.972 1.511 . . . . 0.0 110.543 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -93.46 -174.28 3.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 110.03 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 28.7 3.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.487 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 -73.97 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.638 -0.664 . . . . 0.0 110.422 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.02 -169.72 12.55 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 6.4 t -63.73 149.86 45.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.128 -1.219 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -98.2 22.51 9.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.926 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 -46.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.98 -1.075 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.89 72.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.098 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.62 67.91 1.23 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -164.52 137.91 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -1.107 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -155.76 0.12 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.95 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.66 -67.76 3.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 26.9 p-80 -104.64 -154.19 0.5 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -1.054 . . . . 0.0 109.461 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.08 -172.57 4.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.11 -0.994 . . . . 0.0 110.066 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' TRP . 3.6 ppp? -66.24 -23.33 66.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 110.558 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -78.62 -38.84 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.123 -0.986 . . . . 0.0 110.125 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 84.5 m-20 -76.97 -48.86 16.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 45.3 t -65.46 129.49 39.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.354 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.8 m -83.12 -58.49 2.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 53.44 57.52 6.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.67 -0.644 . . . . 0.0 110.534 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -40.37 12.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 110.008 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.468 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.438 HG23 ' HB2' ' A' ' 14' ' ' LYS . 3.0 m . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 120.864 0.364 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.561 ' HB2' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -155.93 36.35 0.35 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.898 -1.126 . . . . 0.0 111.058 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.543 ' SG ' ' HE1' ' A' ' 28' ' ' HIS . 28.2 t -80.63 75.2 7.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.953 -1.092 . . . . 0.0 109.17 179.087 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -92.69 -21.71 19.84 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.334 -0.854 . . . . 0.0 111.105 -179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' CD2' ' A' ' 28' ' ' HIS . 1.8 m-20 -88.1 45.51 1.29 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.87 -1.144 . . . . 0.0 110.471 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.481 ' HB3' ' CE1' ' A' ' 28' ' ' HIS . 0.4 OUTLIER -178.86 -55.38 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.261 -0.899 . . . . 0.0 110.028 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.47 60.79 0.22 Allowed Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.689 -1.364 . . . . 0.0 109.689 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD2' ' CE1' ' A' ' 23' ' ' HIS . 1.4 ttmt -158.86 -150.31 0.24 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.252 -1.146 . . . . 0.0 109.774 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.78 112.29 3.15 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.985 -1.072 . . . . 0.0 110.427 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 134.73 -22.7 3.64 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.45 ' CE1' ' HD2' ' A' ' 20' ' ' LYS . 37.6 m170 -75.35 -32.29 60.82 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.203 -1.174 . . . . 0.0 110.634 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.561 HG23 ' HB2' ' A' ' 14' ' ' LYS . 0.3 OUTLIER 51.9 43.71 29.98 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.503 -0.748 . . . . 0.0 110.46 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.463 ' HA ' ' NE2' ' A' ' 28' ' ' HIS . . . 52.66 34.98 17.11 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.643 -0.66 . . . . 0.0 110.407 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 mtp85 -143.64 22.88 1.79 Allowed 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.504 -0.748 . . . . 0.0 109.889 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -156.24 43.55 0.4 Allowed 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.246 -0.909 . . . . 0.0 109.526 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.543 ' HE1' ' SG ' ' A' ' 15' ' ' CYS . 49.0 m-70 -102.72 94.08 5.43 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.371 -0.831 . . . . 0.0 110.215 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.54 175.76 8.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.37 -0.831 . . . . 0.0 110.333 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -151.99 73.5 7.82 Favored Pre-proline 0 N--CA 1.491 1.597 0 O-C-N 121.272 -0.893 . . . . 0.0 110.26 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.3 Cg_endo -71.93 -41.55 2.02 Favored 'Trans proline' 0 C--N 1.305 -1.721 0 O-C-N 123.972 1.511 . . . . 0.0 110.543 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -93.46 -174.28 3.45 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.137 -0.977 . . . . 0.0 110.03 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.53 28.7 3.63 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.276 -0.89 . . . . 0.0 110.487 -179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.64 -73.97 0.07 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.638 -0.664 . . . . 0.0 110.422 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.02 -169.72 12.55 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.164 -1.574 . . . . 0.0 109.164 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' SG ' ' HB3' ' A' ' 49' ' ' CYS . 6.4 t -63.73 149.86 45.77 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.128 -1.219 . . . . 0.0 110.278 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.557 ' HB2' ' HB3' ' A' ' 46' ' ' MET . 0.0 OUTLIER -98.2 22.51 9.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.281 -0.887 . . . . 0.0 110.926 -179.606 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.21 -46.55 0.08 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.98 -1.075 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -71.04 -36.89 72.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.177 -0.952 . . . . 0.0 110.098 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 89.62 67.91 1.23 Allowed Glycine 0 N--CA 1.491 2.314 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.7 tttp -164.52 137.91 5.04 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.318 -1.107 . . . . 0.0 110.052 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.53 -155.76 0.12 Allowed 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.251 -0.905 . . . . 0.0 109.95 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 78.66 -67.76 3.1 Favored Glycine 0 N--CA 1.491 2.328 0 N-CA-C 109.235 -1.546 . . . . 0.0 109.235 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.484 ' HB2' ' HB2' ' A' ' 48' ' ' ASP . 26.9 p-80 -104.64 -154.19 0.5 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.408 -1.054 . . . . 0.0 109.461 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -151.08 -172.57 4.24 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.11 -0.994 . . . . 0.0 110.066 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.557 ' HB3' ' HB2' ' A' ' 37' ' ' TRP . 3.6 ppp? -66.24 -23.33 66.4 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.252 -0.905 . . . . 0.0 110.558 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.3 mtmt -78.62 -38.84 38.87 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.123 -0.986 . . . . 0.0 110.125 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.484 ' HB2' ' HB2' ' A' ' 44' ' ' HIS . 84.5 m-20 -76.97 -48.86 16.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 110.072 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.484 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 45.3 t -65.46 129.49 39.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.386 -0.821 . . . . 0.0 110.354 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 22.8 m -83.12 -58.49 2.83 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.257 -0.902 . . . . 0.0 109.775 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 53.44 57.52 6.09 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.67 -0.644 . . . . 0.0 110.534 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.9 -40.37 12.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.333 -0.854 . . . . 0.0 110.008 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 N--CA 1.494 1.758 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.468 -179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_